U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula 2C6H9O3.Ca
Molecular Weight 298.346
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM 3-METHYL-2-OXO-PENTANOATE, (3S)-

SMILES

[Ca++].CC[C@H](C)C(=O)C([O-])=O.CC[C@H](C)C(=O)C([O-])=O

InChI

InChIKey=PTFSVYLXDCGPFY-SCGRZTRASA-L
InChI=1S/2C6H10O3.Ca/c2*1-3-4(2)5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2/t2*4-;/m00./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CALCIUM 3-METHYL-2-OXO-PENTANOATE, (3S)-
Common Name English
.ALPHA.-KETO-ISOLEUCINE CALCIUM SALT
Preferred Name English
ALPHA-KETO-ISOLEUCINE CALCIUM SALT
Common Name English
PENTANOIC ACID, 3-METHYL-2-OXO-, CALCIUM SALT, (S)-
Common Name English
Alpha-keto-isoleucine calcium [WHO-DD]
Common Name English
KETO-ISOLEUCINE CALCIUM
Systematic Name English
ALPHA-KETO-ISOLEUCINE CALCIUM
Common Name English
CALCIUM 3-METHYL-2-OXOVALERATE, (3S)-
Common Name English
Code System Code Type Description
SMS_ID
100000088160
Created by admin on Mon Mar 31 19:44:20 GMT 2025 , Edited by admin on Mon Mar 31 19:44:20 GMT 2025
PRIMARY
FDA UNII
85RJ2N890T
Created by admin on Mon Mar 31 19:44:20 GMT 2025 , Edited by admin on Mon Mar 31 19:44:20 GMT 2025
PRIMARY
ECHA (EC/EINECS)
257-458-1
Created by admin on Mon Mar 31 19:44:20 GMT 2025 , Edited by admin on Mon Mar 31 19:44:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID20199788
Created by admin on Mon Mar 31 19:44:20 GMT 2025 , Edited by admin on Mon Mar 31 19:44:20 GMT 2025
PRIMARY
PUBCHEM
21149466
Created by admin on Mon Mar 31 19:44:20 GMT 2025 , Edited by admin on Mon Mar 31 19:44:20 GMT 2025
PRIMARY
CAS
51828-96-7
Created by admin on Mon Mar 31 19:44:20 GMT 2025 , Edited by admin on Mon Mar 31 19:44:20 GMT 2025
PRIMARY
EVMPD
SUB22988
Created by admin on Mon Mar 31 19:44:20 GMT 2025 , Edited by admin on Mon Mar 31 19:44:20 GMT 2025
PRIMARY